N-(1-adamantylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(2,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCN2C=CC(=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCN2C=CC(=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O2/c1-16-3-4-17(2)22(7-16)29-15-27-6-5-21(26-27)23(28)25-14-24-11-18-8-19(12-24)10-20(9-18)13-24/h3-7,18-20H,8-15H2,1-2H3,(H,25,28)